2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid

C20H22O4 — CID 151820376

IUPAC2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid
SMILESO=C(O)COCCCC/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H22O4/c21-20(22)16-23-15-7-2-1-4-8-17-11-13-19(14-12-17)24-18-9-5-3-6-10-18/h3-6,8-14H,1-2,7,15-16H2,(H,21,22)/b8-4+
InChIKeySCMROLLXLNJGRN-XBXARRHUSA-N
MW326.39 g/mol
LogP4.76
Rot. Bonds10

About 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid

2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid (PubChem CID 151820376) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid.

Molecular Properties

Compound Name2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid
PubChem CID151820376
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid
SMILESO=C(O)COCCCC/C=C/c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H22O4/c21-20(22)16-23-15-7-2-1-4-8-17-11-13-19(14-12-17)24-18-9-5-3-6-10-18/h3-6,8-14H,1-2,7,15-16H2,(H,21,22)/b8-4+
InChIKeySCMROLLXLNJGRN-XBXARRHUSA-N
XLogP4.76
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(E)-but-1-enyl]-4-phenoxybenzene
CID 58787161
(E)-3-oxo-5-(4-phenoxyphenyl)pent-4-enoic acid
CID 174998337
5-phenoxypent-1-enylbenzene
CID 173201484
tert-butyl 2-[7-(4-methylphenyl)hept-6-enoxy]acetate
CID 139655818
6-phenylhex-5-enyl formate
CID 91069626
5-ethoxypent-1-enylbenzene
CID 54285670
6-phenylhex-5-enoxysilane
CID 123359434
2-(4-phenylbutoxy)acetic acid
CID 24769508
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
2-[4-(4-acetylsulfanylbut-1-enyl)phenoxy]acetic acid
CID 170480704
4-(4-phenoxyphenyl)but-3-enenitrile
CID 170800627
3-(4-phenoxyphenyl)prop-2-enoyl chloride
CID 142711517

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid?
The IUPAC name of 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid (CID 151820376) is 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid.
What is the SMILES notation for 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid?
The canonical SMILES for 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid is O=C(O)COCCCC/C=C/c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid?
The InChIKey is SCMROLLXLNJGRN-XBXARRHUSA-N. The full InChI is InChI=1S/C20H22O4/c21-20(22)16-23-15-7-2-1-4-8-17-11-13-19(14-12-17)24-18-9-5-3-6-10-18/h3-6,8-14H,1-2,7,15-16H2,(H,21,22)/b8-4+.
What are the key properties of 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid?
2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid has a molecular weight of 326.39 g/mol, XLogP of 4.76, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-6-(4-phenoxyphenyl)hex-5-enoxy]acetic acid is sourced from PubChem (CID 151820376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).